[5-[(4-phenyloxan-4-yl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-[(4-phenyloxan-4-yl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-allyl-5-[(4-phenyltetrahydropyran-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-[(4-phenyl-4-oxanyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[(4-phenyloxan-4-yl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-allyl-5-[(4-phenyltetrahydropyran-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C27H36N4O2S MolecularWeight: 480.66534

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C27H36N4O2S/c1-2-12-31-24-9-8-22(19-23(24)25(29-31)26(32)30-13-17-34-18-14-30)28-20-27(10-15-33-16-11-27)21-6-4-3-5-7-21/h2-7,22,28H,1,8-20H2